3-methyl-2-morpholin-4-yl-2-[6-(1,2,4-triazol-1-yl)pyridin-3-yl]pentanedioic acid

Systemtic Name: 3-methyl-2-morpholin-4-yl-2-[6-(1,2,4-triazol-1-yl)pyridin-3-yl]pentanedioic acid Openeye Name: 3-methyl-2-morpholino-2-[6-(1,2,4-triazol-1-yl)-3-pyridyl]pentanedioic acid CAS Name: 3-methyl-2-(4-morpholinyl)-2-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]pentanedioic acid IUPAC Name: 3-methyl-2-morpholin-4-yl-2-[6-(1,2,4-triazol-1-yl)pyridin-3-yl]pentanedioic acid Traditional Name: 3-methyl-2-morpholino-2-[6-(1,2,4-triazol-1-yl)-3-pyridyl]glutaric acid Formula: C17H21N5O5 MolecularWeight: 375.37914

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)O)C(C1=CN=C(C=C1)N2C=NC=N2)(C(=O)O)N3CCOCC3

Isomeric SMILES

CC(CC(=O)O)C(C1=CN=C(C=C1)N2C=NC=N2)(C(=O)O)N3CCOCC3

InChI

InChI=1S/C17H21N5O5/c1-12(8-15(23)24)17(16(25)26,21-4-6-27-7-5-21)13-2-3-14(19-9-13)22-11-18-10-20-22/h2-3,9-12H,4-8H2,1H3,(H,23,24)(H,25,26)